N-(4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyrimidin-4-amine

C14H12FN5 — CID 154829351

IUPACN-(4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyrimidin-4-amine
SMILESCc1nccn1-c1cc(Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C14H12FN5/c1-10-16-6-7-20(10)14-8-13(17-9-18-14)19-12-4-2-11(15)3-5-12/h2-9H,1H3,(H,17,18,19)
InChIKeySIUQXKIKSBHDAC-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.85
Rot. Bonds3

About N-(4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyrimidin-4-amine

N-(4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyrimidin-4-amine (PubChem CID 154829351) has the molecular formula C14H12FN5 and a molecular weight of 269.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyrimidin-4-amine
PubChem CID154829351
Molecular FormulaC14H12FN5
Molecular Weight269.28 g/mol
Exact Mass269.11
IUPAC NameN-(4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyrimidin-4-amine
SMILESCc1nccn1-c1cc(Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C14H12FN5/c1-10-16-6-7-20(10)14-8-13(17-9-18-14)19-12-4-2-11(15)3-5-12/h2-9H,1H3,(H,17,18,19)
InChIKeySIUQXKIKSBHDAC-UHFFFAOYSA-N
XLogP2.85
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,4-trifluoro-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122291877
1-(3,4-dimethylphenyl)-3-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]urea
CID 121074302
2,4,5-trimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 121074191
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]cyclobutanecarboxamide
CID 122291838
2-methoxy-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122291987
3,4-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 121074181
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-pyrrol-1-ylacetamide
CID 122291908
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-phenylacetamide
CID 121073957
4-iodo-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121073990
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122291982
2,5-dimethyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzamide
CID 121073969
1-(3-chloro-4-methylphenyl)-3-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]urea
CID 121074292

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyrimidin-4-amine (CID 154829351) is N-(4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyrimidin-4-amine is Cc1nccn1-c1cc(Nc2ccc(F)cc2)ncn1.
What is the InChIKey of N-(4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyrimidin-4-amine?
The InChIKey is SIUQXKIKSBHDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5/c1-10-16-6-7-20(10)14-8-13(17-9-18-14)19-12-4-2-11(15)3-5-12/h2-9H,1H3,(H,17,18,19).
What are the key properties of N-(4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyrimidin-4-amine?
N-(4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyrimidin-4-amine has a molecular weight of 269.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 154829351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).